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Biological and Medicinal Chemistry

Working Paper

In Search for Effective and Safe Drugs Against SARS-CoV-2: Part III] the Electronic Factors of Remdesivir and the Naturally Extracted Aspirochlorine Drugs

M. Sabry Abdel-Mottaleb, Yousra Abdel-Mottaleb

Version 1 posted 08 May 2020

711

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Biological and Medicinal Chemistry

Working Paper

Natures Therapy for COVID-19: Targeting the Vital Non-Structural Proteins (NSP) from SARS-CoV-2 with Phytochemicals from Indian Medicinal Plants

Pratap Kumar Parida, Dipak Paul, Debamitra Chakravorty

Version 2 posted 16 July 2020

973

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Theoretical and Computational Chemistry

Working Paper

Supramolecular Recognition in Crystalline Nanocavities Through Monte Carlo and Voronoi Network Algorithms

Daniel Schwalbe-Koda, Rafael Gomez-Bombarelli

Version 1 posted 10 November 2020

632

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1

Citations

Biological and Medicinal Chemistry

Working Paper

In Search for Effective and Safe Drugs Against SARS-CoV-2: Part II] the Role of Selected Salts and Organometallics of Copper, Zinc, Selenium, and Iodine Food Supplements

M. Sabry Abdel-Mottaleb, Yousra Abdel-Mottaleb

Version 1 posted 05 May 2020

989

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1

Citations

Materials Chemistry

Working Paper

High Stability and Properties of Adsorbed Polycyclic Aromatic Hydrocarbons (PAHs) onto Phosphorene: An atomistic DFT study

Diego Cortés-Arriagada

Version 1 posted 01 September 2021

259

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Theoretical and Computational Chemistry

Working Paper

Theoretical insight into complexation between cyclocarbons and C60 fullerene

Zeyu Liu, Tian Lu

Version 1 posted 25 April 2024

129

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Biological and Medicinal Chemistry

Working Paper

Assessing the Catalytic Role of Native Glucagon Amyloid Fibrils

Ashim Nandi, Aoxuan Zhang, Elad Arad, Raz Jelinek, Arieh Warshel

Version 2 posted 06 March 2024

273

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Materials Science

Working Paper

Benchmarking binding energy calculations for organic structure-directing agents in pure-silica zeolites

Daniel Schwalbe-Koda, Rafael Gomez-Bombarelli

Version 2 posted 22 January 2021

823

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1

Citations

Biological and Medicinal Chemistry

Working Paper

Potential Binding Efficiency of Antiviral Drug Lopinavir Targeted to the Catalytic Dyad, His41 - Cys145 of SARS CoV -2 Main Protease

Muthu Raj S, Manohar M, Mohan M, Ganesh P, Marimuthu K

Version 1 posted 11 June 2020

468

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Materials Science

Working Paper

Methane Adsorption on Heteroatom-Modified Maquettes of Porous Carbon Surfaces

Rylan Rowsey, Erin E Taylor, Stephan Irle, Nicholas Stadie, Robert Szilagyi

Version 1 posted 08 January 2021

357

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Refine Search

12 results in Binding Energy in Keywords: Binding Energy

In Search for Effective and Safe Drugs Against SARS-CoV-2: Part III] the Electronic Factors of Remdesivir and the Naturally Extracted Aspirochlorine Drugs

Natures Therapy for COVID-19: Targeting the Vital Non-Structural Proteins (NSP) from SARS-CoV-2 with Phytochemicals from Indian Medicinal Plants

Supramolecular Recognition in Crystalline Nanocavities Through Monte Carlo and Voronoi Network Algorithms

In Search for Effective and Safe Drugs Against SARS-CoV-2: Part II] the Role of Selected Salts and Organometallics of Copper, Zinc, Selenium, and Iodine Food Supplements

High Stability and Properties of Adsorbed Polycyclic Aromatic Hydrocarbons (PAHs) onto Phosphorene: An atomistic DFT study

Theoretical insight into complexation between cyclocarbons and C60 fullerene

Assessing the Catalytic Role of Native Glucagon Amyloid Fibrils

Benchmarking binding energy calculations for organic structure-directing agents in pure-silica zeolites

Potential Binding Efficiency of Antiviral Drug Lopinavir Targeted to the Catalytic Dyad, His41 - Cys145 of SARS CoV -2 Main Protease

Methane Adsorption on Heteroatom-Modified Maquettes of Porous Carbon Surfaces

12 results in Keywords: Binding Energy